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1H-indole, 3-[(E)-[[[[1-(2,5-dichlorophenyl)-2,5-dioxo-3-pyrrolidinyl]thio]iminomethyl]hydrazono]methyl]-
SpectraBase Compound ID Jgtju6tqw6I
InChI InChI=1S/C20H15Cl2N5O2S/c21-12-5-6-14(22)16(7-12)27-18(28)8-17(19(27)29)30-20(23)26-25-10-11-9-24-15-4-2-1-3-13(11)15/h1-7,9-10,17,24H,8H2,(H2,23,26)/b25-10+
InChIKey BVCMZXOSASNYIS-KIBLKLHPSA-N
Mol Weight 460.34 g/mol
Molecular Formula C20H15Cl2N5O2S
Exact Mass 459.032351 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 5H5nyHxBxB1
Name 1H-indole, 3-[(E)-[[[[1-(2,5-dichlorophenyl)-2,5-dioxo-3-pyrrolidinyl]thio]iminomethyl]hydrazono]methyl]-
Copyright Copyright © 2022-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2022-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 459.032351315 u
Formula C20H15Cl2N5O2S
InChI InChI=1S/C20H15Cl2N5O2S/c21-12-5-6-14(22)16(7-12)27-18(28)8-17(19(27)29)30-20(23)26-25-10-11-9-24-15-4-2-1-3-13(11)15/h1-7,9-10,17,24H,8H2,(H2,23,26)/b25-10+
InChIKey BVCMZXOSASNYIS-KIBLKLHPSA-N
Molecular Weight 460.339 g/mol
NMR Offset 18.0059
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2017_7653
Solvent DMSO-d6
Source Vendor ID: NMR/9313481; Lab Info: UST; Lab Number: UST-AL00049
Temperature 29.85 °C